2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide

C20H20ClN5O2 — CID 59757146

IUPAC2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(C)cc(C)c1NC(=O)c1cc(C)nn1-c1ncccc1Cl
InChIInChI=1S/C20H20ClN5O2/c1-11-8-12(2)17(14(9-11)19(27)22-4)24-20(28)16-10-13(3)25-26(16)18-15(21)6-5-7-23-18/h5-10H,1-4H3,(H,22,27)(H,24,28)
InChIKeyIOGNOIGMBRBPIH-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.46
Rot. Bonds4

About 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide

2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 59757146) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID59757146
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(C)cc(C)c1NC(=O)c1cc(C)nn1-c1ncccc1Cl
InChIInChI=1S/C20H20ClN5O2/c1-11-8-12(2)17(14(9-11)19(27)22-4)24-20(28)16-10-13(3)25-26(16)18-15(21)6-5-7-23-18/h5-10H,1-4H3,(H,22,27)(H,24,28)
InChIKeyIOGNOIGMBRBPIH-UHFFFAOYSA-N
XLogP3.46
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 58202337
2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 58202285
N-[2-bromo-4-chloro-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202211
N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 143049906
N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202262
N-[4-chloro-2-methyl-6-[[2-(4-methylphenyl)-2-oxoethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202299
N-[4-chloro-2-[(2-cyclopropyl-2-oxoethyl)carbamoyl]-6-methylphenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202356
3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 50905436
5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide
CID 50907759
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;methane
CID 159513798
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[(5,6-dichlorobenzotriazol-2-yl)methyl]pyrazole-5-carboxamide
CID 58507470
3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-2,6-dichloro-N-methylpyridine-4-carboxamide
CID 10141961

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide (CID 59757146) is 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide is CNC(=O)c1cc(C)cc(C)c1NC(=O)c1cc(C)nn1-c1ncccc1Cl.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is IOGNOIGMBRBPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-11-8-12(2)17(14(9-11)19(27)22-4)24-20(28)16-10-13(3)25-26(16)18-15(21)6-5-7-23-18/h5-10H,1-4H3,(H,22,27)(H,24,28).
What are the key properties of 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide?
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 59757146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).